3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione

C20H15N5O2 — CID 118727271

IUPAC3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESCc1cccc2c(C3=C(c4nnc5ccccn45)C(=O)NC3=O)cn(C)c12
InChIInChI=1S/C20H15N5O2/c1-11-6-5-7-12-13(10-24(2)17(11)12)15-16(20(27)21-19(15)26)18-23-22-14-8-3-4-9-25(14)18/h3-10H,1-2H3,(H,21,26,27)
InChIKeyGIQGELXCYSCDQF-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.10
Rot. Bonds2

About 3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione

3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 118727271) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID118727271
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESCc1cccc2c(C3=C(c4nnc5ccccn45)C(=O)NC3=O)cn(C)c12
InChIInChI=1S/C20H15N5O2/c1-11-6-5-7-12-13(10-24(2)17(11)12)15-16(20(27)21-19(15)26)18-23-22-14-8-3-4-9-25(14)18/h3-10H,1-2H3,(H,21,26,27)
InChIKeyGIQGELXCYSCDQF-UHFFFAOYSA-N
XLogP2.10
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Ly-2090314
CID 10029385
Pimitespib
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(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
Bis-(Indole)maleimide Pyridinophane
CID 16734945
3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
CID 67501021
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide
CID 168007913
Ripk1-IN-19
CID 168007916
3-(1-methyl-1H-indol-3-yl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327669
1-[(3R)-3-[4-amino-3-(1-methylindol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 137348469
Bisarylmaleimide 1
CID 11283328
3-(5-Bromo-1-methylindol-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
CID 71735028
3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide
CID 162654034

Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (CID 118727271) is 3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is Cc1cccc2c(C3=C(c4nnc5ccccn45)C(=O)NC3=O)cn(C)c12.
What is the InChIKey of 3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is GIQGELXCYSCDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-11-6-5-7-12-13(10-24(2)17(11)12)15-16(20(27)21-19(15)26)18-23-22-14-8-3-4-9-25(14)18/h3-10H,1-2H3,(H,21,26,27).
What are the key properties of 3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 357.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 118727271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).